3229-0844 Screening compound: 2-methoxy-4-[(E)-{2-[4-(phenylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 4-nitrobenzoate

3229-0844 Screening compound: 2-methoxy-4-[(E)-{2-[4-(phenylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 4-nitrobenzoate
3229-0844 Screening compound: 2-methoxy-4-[(E)-{2-[4-(phenylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-0844
2-methoxy-4-[(E)-{2-[4-(phenylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 4-nitrobenzoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3229-0844

Molecular Formula

C29H28N8O5 (C29 H28 N8 O5)

Compound Name

2-methoxy-4-[(E)-{2-[4-(phenylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 4-nitrobenzoate

IUPAC name

2-methoxy-4-[(E)-{2-[4-(phenylamino)-6-(piperidin-1-yl)-135-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 4-nitrobenzoate

SMILES

COc(cc(/C=N/Nc1nc(N2CCCCC2)nc(Nc2ccccc2)n1)cc1)c1OC(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C29H28N8O5/c1-41-25-18-20(10-15-24(25)42-26(38)21-11-13-23(14-12-21)37(39)40)19-30-35-28-32-27(31-22-8-4-2-5-9-22)33-29(34-28)36-16-6-3-7-17-36/h2,4-5,8-15,18-19H,3,6-7,16-17H2,1H3,(H2,31,32,33,34,35)

InChI Key

FFPNJAGQVSSUAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01021918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.59

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

6.994

Distribution Coefficient, logD

6.993

Water Solubility, LogSw

-5.72

Polar Surface Area

126.278

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

References: we are preparing a list of scientific research reports with 3229-0844 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-0844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-0844
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3229-0844 available by request